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CHEBI:210975 - Bafilomycin N

ChEBI IDCHEBI:210975
ChEBI NameBafilomycin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H60O10
Net Charge0
Average Mass688.899
Monoisotopic Mass688.41865
SMILESCC1=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC(=O)/C=C/C(=O)O)[C@H](C)[C@@H](C(C)C)O2)OC1=O
InChIInChI=1S/C39H60O10/c1-21(2)36-28(9)31(47-33(42)16-15-32(40)41)20-39(46,49-36)30(11)35(44)29(10)37-24(5)14-12-13-22(3)17-25(6)34(43)26(7)18-23(4)19-27(8)38(45)48-37/h12-16,18-19,21,24-26,28-31,34-37,43-44,46H,17,20H2,1-11H3,(H,40,41)/b14-12+,16-15+,22-13+,23-18+,27-19?/t24-,25-,26+,28-,29-,30-,31+,34-,35+,36+,37-,39+/m0/s1
InChIKeyHPYXJLWNTQFKQM-VARDXPGHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1016/j.tet.2017.07.009)
ChEBI Ontology
Outgoing Relation(s)
Bafilomycin N (CHEBI:210975) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(E)-4-[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2S,3S,4E,6E,9S,10S,11R,12E)-10-hydroxy-3,7,9,11,13,15-hexamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl]oxy-4-oxobut-2-enoic acid